On Thu, Nov 8, 2018 at 2:16 PM LEUNG Clarence
wrote:
> BTW, what is the difference between Version 4 and Version 6, both is
> DFT-D3 with BJ damping.
>
one is "D3" and one is "D3M", the M standing for "Modified". Please see
here:
https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft
Dear Paolo,
Thanks you very much for your reply.
BTW, what is the difference between Version 4 and Version 6, both is DFT-D3
with BJ damping.
LIANG Xiongyi
发件人: users 代表 Paolo Giannozzi
发送时间: 2018年11月8日 20:57
收件人: Quantum Espresso users Forum
主题: Re: [QE-users
